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CHEBI:755777 - dihydroergocryptine mesylate
| Formula | CH4O3S.C32H43N5O5 |
| Net Charge | 0 |
| Average Mass | 673.833 |
| Monoisotopic Mass | 673.31453 |
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6ncc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O |
| InChI | InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1 |
| InChIKey | TZGKQIBPZOZAKF-PJLVGBPESA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antiparkinson drug A drug used in the treatment of Parkinson's disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dihydroergocryptine mesylate (CHEBI:755777) has role antiparkinson drug (CHEBI:48407) |
| dihydroergocryptine mesylate (CHEBI:755777) is a peptide ergot alkaloid (CHEBI:25904) |